SCHEMBL6583144

SCHEMBL6583144

CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
CTSK P43235 8/20 0.53
CTSS P25774 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
TYR P14679 1/20 0.48
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7250149 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNACTSK
Lithium SCHEMBL7159425 0.99 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL7159417 0.99 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL7160572 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL27492977 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL27557439 0.89 CTSL (0.55) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL3844143 0.89 MEN1 (0.48) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL21458077 0.89 MEN1 (0.48) NPC1RAB9ASMN1; SMN2CTSKCTSS
Lithium Ion SCHEMBL7159421 0.88 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNACTSK
SCHEMBL6183994 0.85 CTSS (0.72) CTSKCTSSCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN disclosed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 US disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
CN-1232399-A Cysteine protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP disclosed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed
US-5578608-A HIV PROTEASE INHIBITOR ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0575097-A1 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS ELI LILLY AND COMPANY (US) 1993-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS NPC1 275/4885RAB9A 743/4885SMN1; SMN2 3802/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL NPC1 499/4885RAB9A 2169/4885SMN1; SMN2 4556/4885
US-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 NPC1 844/4885RAB9A 2225/4885SMN1; SMN2 4763/4885
US-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG NPC1 862/4885RAB9A 1337/4885SMN1; SMN2 4791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.